natural glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD117382 | 0.34 | 1160.32 | C54H89O22N5 | CCCCCCCCCCCCCC(CC(=O)OC1CN(C)C(C(OC2OC(CN)C(O)C2O)C2OC(n3ccc(O)nc3=O)C(O)C2O)C(=O)N(C)C1C(=O)OC)OC(=O)CC(C)CC(=O)OC1OC(C)C(OC)C(OC)C1OC |
|
GD117383 | 5.01 | 1341.59 | C68H108O26 | CCCCCCCC(=O)OC1C(C)OC(OC2C(C)OC(OC3C(C)OC4OC5C(OC(CCCCC)CCCCCCCCCC(=O)OC4C3O)OC(C)C(O)C5O)C(OC(=O)C(C)CC)C2OC2OC(CO)C(O)C(O)C2O)C(O)C1OC(=O)C=Cc1ccccc1 |
|
GD117384 | 4.34 | 598.82 | C32H58O8N2 | COC(C(O)=NC1CCC(OC(=O)CCCCCCCCCCC(C)C)CN(C)C1=O)C(O)C(O)C(O)C=CC(C)C |
|
GD117385 | -0.69 | 550.47 | C25H26O14 | O=C(O)CC(O)C(=O)OCC1OC(OC2=C(c3ccc(O)cc3)Oc3cc(O)cc(O)c3C2)C(O)C(O)C1O |
|
GD117386 | -2.0 | 656.59 | C29H36O17 | COc1cc(C2=C(OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)C=C3[C](O)C=C(O)C=C3[OH+]2)cc(OC)c1O |
|
GD117387 | -0.69 | 436.41 | C21H24O10 | OCC1OC(Oc2cc(O)c3c(c2)OC(c2ccc(O)cc2)C(O)C3)C(O)C(O)C1O |
|
GD117388 | 1.07 | 428.48 | C21H32O9 | CC(=O)OCC(C)CCCCc1cc(OC2OC(C)C(O)C(O)C2O)c(C)c(=O)o1 |
|
GD117389 | 0.58 | 721.74 | C37H41O13N2 | COc1ccc2c(c1OC)OC1c3c(CN4C=C5[NH+]=CC=C5C4)cc(OC4OC(COC(=O)CC(=O)O)C(O)C(O)C4O)cc3OC3(CCCC3)C21 |
|
GD117390 | -2.19 | 332.31 | C14H20O9 | COC1=CC(OC2OC(CO)C(O)C(O)C2O)C=C(OC)C1=O |
|
GD117391 | -0.06 | 770.91 | C39H62O15 | CC1CC(O)C2(OC1=O)OC1C(O)C3C4CCC5CC(OC6OC(CO)C(O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2C |